[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate

C15H13NO5S — CID 28091

IUPAC[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate
SMILESCC(=O)N(OS(=O)(=O)O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H13NO5S/c1-10(17)16(21-22(18,19)20)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyVAQHXJKAFOKQTD-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.35
Rot. Bonds3

About [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate

[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate (PubChem CID 28091) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate.

Molecular Properties

Compound Name[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate
PubChem CID28091
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate
SMILESCC(=O)N(OS(=O)(=O)O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H13NO5S/c1-10(17)16(21-22(18,19)20)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyVAQHXJKAFOKQTD-UHFFFAOYSA-N
XLogP2.35
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-Acetylaminofluorene
CID 5897
Hydroxyacetylaminofluorene
CID 5896
4-Acetylaminofluorene
CID 34210
N-Acetoxy-N-acetyl-2-aminofluorene
CID 22469
N-Hydroxy-4-acetylaminobiphenyl
CID 20527
N,N'-9H-Fluorene-2,7-diylbis(acetamide)
CID 9352
1-Acetylaminofluorene
CID 34209
N,N'-9H-fluorene-2,7-diylbis(2-methylpropanamide)
CID 946069
Butyramide, N-(2-fluorenyl)-
CID 43146
N-[7-(propanoylamino)-9H-fluoren-2-yl]propanamide
CID 804150
7-Iodo-N-2-acetylaminofluorene
CID 94940
7-Fluoro-N-hydroxy-N-2-acetylaminofluorene
CID 17270

Frequently Asked Questions

What is the IUPAC name of [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate?
The IUPAC name of [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate (CID 28091) is [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate.
What is the SMILES notation for [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate?
The canonical SMILES for [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate is CC(=O)N(OS(=O)(=O)O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate?
The InChIKey is VAQHXJKAFOKQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c1-10(17)16(21-22(18,19)20)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate?
[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate has a molecular weight of 319.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate is sourced from PubChem (CID 28091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).